UCSF

ZINC52828160

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: N-[[1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-piperidyl]methyl]acetamide N-[[1-[(1-methyl-4-oxo-5H-pyrazo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 2.33 -56.47 2 8 0 100 318.381 4 ↓
Mid Mid (pH 6-8) -0.64 5.1 -66.65 3 8 1 97 319.389 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.